| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2010 | 19 | Yes |
Popular Name: 3-[(1S,5R)-6,6-dimethoxy-3-methyl-3-azabicyclo[3.2.0]heptan-5-yl]phenol 3-[(1S,5R)-6,6-dimethoxy-3-methy…
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| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.88 | 3.98 | -37.56 | 2 | 4 | 1 | 43 | 264.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 1.38 | -5.39 | 1 | 4 | 0 | 42 | 263.337 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 5), Other | Other | 61 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 579 | 0.46 | Binding ≤ 1μM |
| Z50597 | Z50597 | Rattus Norvegicus | 579 | 0.46 | Binding ≤ 10μM |
